N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C22H22N4O3 — CID 136867017

IUPACN-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1cccc2c1ccn2CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H22N4O3/c1-29-19-8-4-7-18-16(19)11-13-26(18)14-12-23-21(27)10-9-20-24-17-6-3-2-5-15(17)22(28)25-20/h2-8,11,13H,9-10,12,14H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyKPXSEFZSLGCGAU-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.64
Rot. Bonds7

About N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 136867017) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID136867017
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1cccc2c1ccn2CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H22N4O3/c1-29-19-8-4-7-18-16(19)11-13-26(18)14-12-23-21(27)10-9-20-24-17-6-3-2-5-15(17)22(28)25-20/h2-8,11,13H,9-10,12,14H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyKPXSEFZSLGCGAU-UHFFFAOYSA-N
XLogP2.64
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
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N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyindol-1-yl)ethyl]propanamide
CID 71710011
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71705067
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570299
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 56698870
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303370
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 136867017) is N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is COc1cccc2c1ccn2CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is KPXSEFZSLGCGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-19-8-4-7-18-16(19)11-13-26(18)14-12-23-21(27)10-9-20-24-17-6-3-2-5-15(17)22(28)25-20/h2-8,11,13H,9-10,12,14H2,1H3,(H,23,27)(H,24,25,28).
What are the key properties of N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 390.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 136867017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).